SCHEMBL2264535

SCHEMBL2264535

Cc1s[c]c2ccccc12

nearest known ligand 0.36

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.36
CYP2A6 P11509 2/20 0.31
ALDH1A1 P00352 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3140610 0.73 CYP2A6 (0.42) CYP1A2CYP2A6ALDH1A1
SCHEMBL5535496 0.73 CYP1A2 (0.33) CYP1A2CYP2A6
SCHEMBL4460819 0.71
SCHEMBL4467536 0.71 ALDH1A1 (0.39) CYP1A2ALDH1A1
SCHEMBL7435648 0.71 TP53 (0.31) ALDH1A1
SCHEMBL5539656 0.70 KIF11 (0.33) ALDH1A1
SCHEMBL5540987 0.70 ALDH1A1 (0.31) ALDH1A1
SCHEMBL5537475 0.70 LMNA (0.33) CYP2A6ALDH1A1
SCHEMBL2968035 0.68 ALDH1A1 (0.33) CYP1A2ALDH1A1
SCHEMBL5539117 0.68 CYP1A2 (0.44) CYP1A2CYP2A6ALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 157 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115716849-A Synthetic method of aryl phosphorus compound 海南大学 2023-02-28 CN claimed
EP-1465869-B1 MODULATORS OF LXR EXELIXIS PATENT CO LLC (US) 2013-05-15 EP claimed
US-7998986-B2 Heterocyclic compounds, in particular N-substituted pyridones for modulating the activity of nuclear receptors EXELIXIS PATENT COMPANY LLC (US) 2011-08-16 US claimed
US-20070287726-A1 5-Substituted 1H-Pyrrolo [3,2-B] Pyridines ALTANA PHARMA AG (DE) 2007-12-13 US claimed
EP-1776361-A1 5-SUBSTITUTED 1H-PYRROLOÝ3,2-B¨PYRIDINES Altana Pharma AG (DE) 2007-04-25 EP claimed
WO-2006013195-A1 5-SUBSTITUTED 1H-PYRROLO[3,2-B]PYRIDINES ALTANA PHARMA AG (DE) 2006-02-09 WO claimed
EP-1465869-A4 MODULATORS OF LXR X CEPTOR THERAPEUTICS INC (US) 2005-12-28 EP claimed
JP-2005536450-A 2005-12-02 JP claimed
EP-1465869-A1 MODULATORS OF LXR X-Ceptor Therapeutics, Inc. (US) 2004-10-13 EP claimed
CN-1152108-C Arylheterocycle substituted naphthopyran-type photochromic compound and its preparing process and usage 中国科学院感光化学研究所 2004-06-02 CN claimed
CN-1152109-C Arylheterocycle substituted dibenzofuranpyran-type photochromic compound and its preparing process and usage 中国科学院感光化学研究所 2004-06-02 CN claimed
EP-0403618-B2 METHYL ESTERS OF ALDIMINO- OR KETIMINO-OXY-ORTHO-TOLYLACRYLIC ACID, MANUFACTURING PROCESS AND FUNGICIDES CONTAINING THEM BAYER AG (DE) 2004-04-28 EP claimed
US-20030181420-A1 Heterocyclic compounds, in particular N-substituted pyridones for modulating the activity of nuclear receptors EXELIXIS, INC. 2003-09-25 US claimed
WO-2003059884-A1 MODULATORS OF LXR X-CEPTOR THERAPEUTICS, INC. (US) 2003-07-24 WO claimed
CN-1328109-A Arylheterocycle substituted dibenzofuranpyran-type photochromic compound and its preparing process and usage INST PHOTOSENSITIVE CHEMISTRY CAS (CN) 2001-12-26 CN claimed
CN-1328108-A Arylheterocycle substituted naphthopyran-type photochromic compound and its preparing process and usage INST PHOTOSENSITIVE CHEMISTRY CAS (CN) 2001-12-26 CN claimed
CN-1151727-A Amino acid derivatives and their pesticidal use BAYER AG (DE) 1997-06-11 CN claimed
CN-115716849-A Synthetic method of aryl phosphorus compound 海南大学 2023-02-28 CN disclosed
EP-0608565-A1 Pyridopyrimidine derivatives, their production and use Takeda Chemical Industries, Ltd. (JP) 1994-08-03 EP disclosed
WO-1994014809-A1 ANELLATED URACIL DERIVATES BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 1994-07-07 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20070287726-A1 5-Substituted 1H-Pyrrolo [3,2-B] Pyridines GIPR, VIP, PGC CYP1A2 301/4885CYP2A6 344/4885ALDH1A1 777/4885
US-20030181420-A1 Heterocyclic compounds, in particular N-substituted pyridones for modulating the activity of nuclear receptors NR1H2, NR1H3, NCOA1 CYP1A2 162/4885CYP2A6 122/4885ALDH1A1 2744/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.